5-[(4-bromophenyl)methoxy]-1H-indazole

C14H11BrN2O — CID 169488870

IUPAC5-[(4-bromophenyl)methoxy]-1H-indazole
SMILESBrc1ccc(COc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C14H11BrN2O/c15-12-3-1-10(2-4-12)9-18-13-5-6-14-11(7-13)8-16-17-14/h1-8H,9H2,(H,16,17)
InChIKeyLZMKFVVPUXDXEY-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.90
Rot. Bonds3

About 5-[(4-bromophenyl)methoxy]-1H-indazole

5-[(4-bromophenyl)methoxy]-1H-indazole (PubChem CID 169488870) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methoxy]-1H-indazole.

Molecular Properties

Compound Name5-[(4-bromophenyl)methoxy]-1H-indazole
PubChem CID169488870
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name5-[(4-bromophenyl)methoxy]-1H-indazole
SMILESBrc1ccc(COc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C14H11BrN2O/c15-12-3-1-10(2-4-12)9-18-13-5-6-14-11(7-13)8-16-17-14/h1-8H,9H2,(H,16,17)
InChIKeyLZMKFVVPUXDXEY-UHFFFAOYSA-N
XLogP3.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methoxy]-1H-indazole?
The IUPAC name of 5-[(4-bromophenyl)methoxy]-1H-indazole (CID 169488870) is 5-[(4-bromophenyl)methoxy]-1H-indazole.
What is the SMILES notation for 5-[(4-bromophenyl)methoxy]-1H-indazole?
The canonical SMILES for 5-[(4-bromophenyl)methoxy]-1H-indazole is Brc1ccc(COc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methoxy]-1H-indazole?
The InChIKey is LZMKFVVPUXDXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-12-3-1-10(2-4-12)9-18-13-5-6-14-11(7-13)8-16-17-14/h1-8H,9H2,(H,16,17).
What are the key properties of 5-[(4-bromophenyl)methoxy]-1H-indazole?
5-[(4-bromophenyl)methoxy]-1H-indazole has a molecular weight of 303.16 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methoxy]-1H-indazole is sourced from PubChem (CID 169488870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).